4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C12H20N4 — CID 80796879

IUPAC4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CC2CC2)ncn1
InChIInChI=1S/C12H20N4/c1-3-6-13-11-7-12(15-9-14-11)16(2)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyFGJDPCRQYJEEGE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80796879) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80796879
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CC2CC2)ncn1
InChIInChI=1S/C12H20N4/c1-3-6-13-11-7-12(15-9-14-11)16(2)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyFGJDPCRQYJEEGE-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80835345
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 105420977
4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 141132564
4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787031
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80796879) is 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)CC2CC2)ncn1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FGJDPCRQYJEEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-6-13-11-7-12(15-9-14-11)16(2)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80796879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).